CID 2856177

325851-59-0

Structural Information

Molecular Formula
C12H15NO5S
SMILES
C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C12H15NO5S/c14-12(15)9-3-5-11(6-4-9)19(16,17)13-8-10-2-1-7-18-10/h3-6,10,13H,1-2,7-8H2,(H,14,15)
InChIKey
VGMULOZGMOSVOZ-UHFFFAOYSA-N
Compound name
4-(oxolan-2-ylmethylsulfamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

285.0671 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.07438 161.5
[M+Na]+ 308.05632 167.0
[M-H]- 284.05982 167.3
[M+NH4]+ 303.10092 176.6
[M+K]+ 324.03026 165.3
[M+H-H2O]+ 268.06436 155.6
[M+HCOO]- 330.06530 177.1
[M+CH3COO]- 344.08095 193.4
[M+Na-2H]- 306.04177 164.0
[M]+ 285.06655 162.5
[M]- 285.06765 162.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.